trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane

C12H38O35S8 — CID 45040433

IUPACtrihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane
SMILESOS(O)(O)OCC1OC(OC2(COS(O)(O)O)OC(COS(O)(O)O)C(OS(O)(O)O)C2OS(O)(O)O)C(OS(O)(O)O)C(OS(O)(O)O)C1OS(O)(O)O
InChIInChI=1S/C12H38O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11,13-36H,1-3H2
InChIKeyHNSGODPXSATOEE-UHFFFAOYSA-N
MW998.94 g/mol
LogP3.91
Rot. Bonds21

About trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane

trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane (PubChem CID 45040433) has the molecular formula C12H38O35S8 and a molecular weight of 998.94 g/mol. Its IUPAC name is trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane.

Molecular Properties

Compound Nametrihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane
PubChem CID45040433
Molecular FormulaC12H38O35S8
Molecular Weight998.94 g/mol
Exact Mass997.90
IUPAC Nametrihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane
SMILESOS(O)(O)OCC1OC(OC2(COS(O)(O)O)OC(COS(O)(O)O)C(OS(O)(O)O)C2OS(O)(O)O)C(OS(O)(O)O)C(OS(O)(O)O)C1OS(O)(O)O
InChIInChI=1S/C12H38O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11,13-36H,1-3H2
InChIKeyHNSGODPXSATOEE-UHFFFAOYSA-N
XLogP3.91
TPSA587.05 Ų
H-Bond Donors24
H-Bond Acceptors35
Rotatable Bonds21
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500998.94
LogP ≤ 53.91
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1035

Analyze trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3S,4R,5S,6S)-2-[(2S,3S,4S,5S)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 124915987
[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-3,5-disulfooxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] hydrogen sulfate
CID 11658270
octakis(N,N-diethylethanamine);[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 154703661
octapotassium;[(2R,3R,4S,5R)-6-[(2S,3S,4R,5R)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl] sulfate
CID 71752278
CID 16698647
CID 16698647
benzenesulfonic acid;[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate
CID 90310532
[2-[3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl] hydrogen sulfate
CID 3274707
CID 6398588
CID 6398588
CID 132775068
CID 132775068
CID 90456388
CID 90456388
[(2R,3S,4R,5S)-2,5-bis(sulfooxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxolan-3-yl] hydrogen sulfate
CID 87746469
[(2R,3S,4R,5R,6R)-2-[[(3S,4R,5R)-3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]methoxymethyl]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate;silver
CID 10148974

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane?
The IUPAC name of trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane (CID 45040433) is trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane.
What is the SMILES notation for trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane?
The canonical SMILES for trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane is OS(O)(O)OCC1OC(OC2(COS(O)(O)O)OC(COS(O)(O)O)C(OS(O)(O)O)C2OS(O)(O)O)C(OS(O)(O)O)C(OS(O)(O)O)C1OS(O)(O)O.
What is the InChIKey of trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane?
The InChIKey is HNSGODPXSATOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H38O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11,13-36H,1-3H2.
What are the key properties of trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane?
trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane has a molecular weight of 998.94 g/mol, XLogP of 3.91, 21 rotatable bonds, 24 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-(trihydroxy-λ4-sulfanyl)oxy-2,5-bis[(trihydroxy-λ4-sulfanyl)oxymethyl]-2-[3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]-6-[(trihydroxy-λ4-sulfanyl)oxymethyl]oxan-2-yl]oxyoxolan-3-yl]oxy-λ4-sulfane is sourced from PubChem (CID 45040433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).